compareSpectraLibrary: Compare against a MS2 library

In michaelwitting/genedataRutils: Collection of utility functions to work with .gda files in R

Description

compareSpectraLibrary compares measured spectra stored in a <code>Spectra </code> object against a library also stored in a <code>Spectra</code> object. By default rtimeTolerance is set to Inf, if RT matching shall be performed a different value in seconds needs to be set.

Usage

compareSpectraLibrary(
  x,
  ms2library,
  tolerance = 0,
  ppm = 0,
  rtOffset = 0,
  rtimeTolerance = Inf,
  plot = FALSE
)

Arguments

x	Spectra Spectra for which library matching shall be performed
ms2library	Spectra Spectra object containing library
tolerance	numeric absolute tolerance for matching of peaks
ppm	numeric relative tolerance for matching of peaks
rtOffset	numeric known offset between measurement and library RT
rtimeTolerance	numeric tolerance for retention time search

Value

data.frame with the results

michaelwitting/genedataRutils documentation built on April 30, 2021, 5:11 p.m.